4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide

C26H37N5O4 — CID 68962343

About 4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide

4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide (PubChem CID 68962343) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide
• PubChem CID: 68962343
• Molecular Formula: C26H37N5O4
• Molecular Weight: 483.61 g/mol
• Exact Mass: 483.28
• IUPAC Name: 4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide
• SMILES: CC(C)C[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)C1CCNC1
• InChI: InChI=1S/C26H37N5O4/c1-16(2)13-20(28-24(33)17-5-7-19(8-6-17)29(3)4)26(35)30-12-10-21-23(30)22(32)15-31(21)25(34)18-9-11-27-14-18/h5-8,16,18,20-21,23,27H,9-15H2,1-4H3,(H,28,33)/t18?,20-,21?,23?/m0/s1
• InChIKey: HYMNPMBDDDBCEL-DXXSNHLCSA-N
• XLogP: 0.89
• TPSA: 102.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.61
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide?

The IUPAC name of 4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide (CID 68962343) is 4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide.

What is the SMILES notation for 4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide?

The canonical SMILES for 4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide is CC(C)C[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)C1CCNC1.

What is the InChIKey of 4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide?

The InChIKey is HYMNPMBDDDBCEL-DXXSNHLCSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-16(2)13-20(28-24(33)17-5-7-19(8-6-17)29(3)4)26(35)30-12-10-21-23(30)22(32)15-31(21)25(34)18-9-11-27-14-18/h5-8,16,18,20-21,23,27H,9-15H2,1-4H3,(H,28,33)/t18?,20-,21?,23?/m0/s1.

What are the key properties of 4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide?

4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide has a molecular weight of 483.61 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-[(2S)-4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-3-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide is sourced from PubChem (CID 68962343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).